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    Technical details about CAS 72544-16-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 72544-16-2

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    2D Structure
    1. Also known as: 72544-16-2, 1-isobutylpiperidin-4-one, 1-(2-methylpropyl)-4-piperidone, 1-(2-methylpropyl)piperidin-4-one, N-isobutyl-4-piperidone, 4-piperidinone, 1-(2-methylpropyl)-
    Molecular Formula
    C9H17NO
    Molecular Weight
    155.24  g/mol
    InChI Key
    KMTASGXMTBUSSP-UHFFFAOYSA-N
    FDA UNII
    WL7MDR2ZN2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-methylpropyl)piperidin-4-one
    2.1.2 InChI
    InChI=1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3
    2.1.3 InChI Key
    KMTASGXMTBUSSP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CN1CCC(=O)CC1
    2.2 Other Identifiers
    2.2.1 UNII
    WL7MDR2ZN2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 72544-16-2

    2. 1-isobutylpiperidin-4-one

    3. 1-(2-methylpropyl)-4-piperidone

    4. 1-(2-methylpropyl)piperidin-4-one

    5. N-isobutyl-4-piperidone

    6. 4-piperidinone, 1-(2-methylpropyl)-

    7. Wl7mdr2zn2

    8. Einecs 276-712-2

    9. Rifabutin Impurity A

    10. Unii-wl7mdr2zn2

    11. Schembl1181641

    12. Amy6027

    13. Dtxsid70222858

    14. N-isobutyl-4-piperidinone

    15. Xca54416

    16. Zinc2556461

    17. Mfcd00190595

    18. Akos000187708

    19. Cs-w010924

    20. Ds-2384

    21. Sb41108

    22. 1-(2-methylpropyl)-4-piperidone, 97%

    23. Rifabutin Impurity A [ep Impurity]

    24. 1-(2-methylpropyl)-4-piperidinone

    25. A9434

    26. Ft-0672186

    27. Z1492698433

    28. Rifabutin Impurity A, European Pharmacopoeia (ep) Reference Standard

    2.4 Create Date
    2005-09-13
    3 Chemical and Physical Properties
    Molecular Weight 155.24 g/mol
    Molecular Formula C9H17NO
    XLogP31
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass155.131014166 g/mol
    Monoisotopic Mass155.131014166 g/mol
    Topological Polar Surface Area20.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity133
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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